N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide

C12H15N5O3 — CID 957991

IUPACN-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H15N5O3/c1-4-17-12(14-15-16-17)13-11(18)8-5-9(19-2)7-10(6-8)20-3/h5-7H,4H2,1-3H3,(H,13,14,16,18)
InChIKeyLWLGOOITXZGKQC-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.96
Rot. Bonds5

About N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide

N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide (PubChem CID 957991) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide
PubChem CID957991
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide
SMILESCCn1nnnc1NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H15N5O3/c1-4-17-12(14-15-16-17)13-11(18)8-5-9(19-2)7-10(6-8)20-3/h5-7H,4H2,1-3H3,(H,13,14,16,18)
InChIKeyLWLGOOITXZGKQC-UHFFFAOYSA-N
XLogP0.96
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19340332
N-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide
CID 108756694
N-[6-(butan-2-ylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113038583
N-[5-(diethylamino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113029690
N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2674005
N-[6-(dipropylamino)pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113045149
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[6-(diethylamino)pyrimidin-4-yl]-3,5-dimethoxybenzamide
CID 65389157
3,5-dimethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931341
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide (CID 957991) is N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide is CCn1nnnc1NC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide?
The InChIKey is LWLGOOITXZGKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-4-17-12(14-15-16-17)13-11(18)8-5-9(19-2)7-10(6-8)20-3/h5-7H,4H2,1-3H3,(H,13,14,16,18).
What are the key properties of N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide?
N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide has a molecular weight of 277.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 957991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).